8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-9-pentyl-purin-6-amine

Systemtic Name: 8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-9-pentyl-purin-6-amine Openeye Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-pentyl-purin-6-amine CAS Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-pentyl-6-purinamine IUPAC Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-pentylpurin-6-amine Traditional Name: [9-amyl-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-6-yl]amine Formula: C17H17ClN6S2 MolecularWeight: 404.94008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

Isomeric SMILES

CCCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

InChI

InChI=1S/C17H17ClN6S2/c1-2-3-4-8-24-15-12(14(19)20-9-21-15)23-16(24)26-17-22-11-7-5-6-10(18)13(11)25-17/h5-7,9H,2-4,8H2,1H3,(H2,19,20,21)